[2-azanyloxy-6-(hydroxymethyl)-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-9-phenylnonoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-aminooxy-6-methylol-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C50H79NO12S MolecularWeight: 918.22676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C50H79NO12S/c1-2-3-4-5-6-7-8-9-16-27-36-43(59-46(53)37-28-17-12-10-14-21-30-41-32-23-19-24-33-41)49(55)50(63-51)39-44(48(45(40-52)61-50)62-64(56,57)58)60-47(54)38-29-18-13-11-15-22-31-42-34-25-20-26-35-42/h19-20,23-26,32-35,43-45,48,52H,2-18,21-22,27-31,36-40,51H2,1H3,(H,56,57,58)